The features contributing to the reduced or enhanced antineoplastic activity of -N-heterocyclic thiosemicarbazones will be determined by comparing the structural features of several derivatives. Complete three-dimensional, single-crystal x-ray diffraction data will be collected for isomers of substituted 2-formylpyridine thiosemicarbazones, their iron chelates, and a closely related isoquinoline iron chelate. The intensity data will be reduced to structure amplitudes, the free thiosemicarbazone derivative structures solved statistical methods, and the iron complex structures solved by heavy atom methods. The coordinates and thermal parameters of all atoms will be refined by the method of least-squares and analyzed both numerically and graphically.